1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol

C11H20F2O2 — CID 129040629

IUPAC1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol
SMILESCC(C)C1CC(C(C)C)C(O)(F)C1(O)F
InChIInChI=1S/C11H20F2O2/c1-6(2)8-5-9(7(3)4)11(13,15)10(8,12)14/h6-9,14-15H,5H2,1-4H3
InChIKeyJDLLZTRYLIXSHH-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.25
Rot. Bonds2

About 1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol

1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol (PubChem CID 129040629) has the molecular formula C11H20F2O2 and a molecular weight of 222.27 g/mol. Its IUPAC name is 1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol
PubChem CID129040629
Molecular FormulaC11H20F2O2
Molecular Weight222.27 g/mol
Exact Mass222.14
IUPAC Name1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol
SMILESCC(C)C1CC(C(C)C)C(O)(F)C1(O)F
InChIInChI=1S/C11H20F2O2/c1-6(2)8-5-9(7(3)4)11(13,15)10(8,12)14/h6-9,14-15H,5H2,1-4H3
InChIKeyJDLLZTRYLIXSHH-UHFFFAOYSA-N
XLogP2.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
The IUPAC name of 1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol (CID 129040629) is 1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol.
What is the SMILES notation for 1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
The canonical SMILES for 1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol is CC(C)C1CC(C(C)C)C(O)(F)C1(O)F.
What is the InChIKey of 1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
The InChIKey is JDLLZTRYLIXSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O2/c1-6(2)8-5-9(7(3)4)11(13,15)10(8,12)14/h6-9,14-15H,5H2,1-4H3.
What are the key properties of 1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol has a molecular weight of 222.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol is sourced from PubChem (CID 129040629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).